3-Benzylpentan-2-one

Base Information

Chemical Name:3-Benzylpentan-2-one
CAS No.:61780-85-6
Molecular Formula:C12H16O
Molecular Weight:176.258
Hs Code.:
DSSTox Substance ID:DTXSID00576210
Nikkaji Number:J436.433C

Synonyms:3-Benzylpentan-2-one;61780-85-6;SCHEMBL11634382;DTXSID00576210;AKOS010228258

Suppliers and Price of 3-Benzylpentan-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Chemical Property of 3-Benzylpentan-2-one

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:176.120115130
Heavy Atom Count:13
Complexity:157

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC(CC1=CC=CC=C1)C(=O)C

Technology Process of 3-Benzylpentan-2-one

There total 17 articles about 3-Benzylpentan-2-one which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 89.0%

: 69390-24-5
(E)-3-ethyl-4-phenyl-3-buten-2-one

: 61780-85-6,69856-96-8
(R)-3-benzylpentan-2-one

Guidance literature:: With C₂₄BF₂₀^(1-)*C₃₄H₃₆IrNPS⁽¹⁺⁾; hydrogen; In dichloromethane; at 20 ℃; for 16h; under 15001.5 Torr; enantioselective reaction;
DOI:10.1021/acs.orglett.0c04012

Reference yield: 81.0%

: 25522-79-6
3-benzyl-3-buten-2-one

: 15681-48-8
lithium dimethylcuprate

: 61780-85-6
3-benzyl-2-pentanone

Guidance literature:: In diethyl ether; at -78 ℃; for 0.5h;
DOI:10.1021/jo00024a014

Reference yield: 48.0%

: 591-50-4
iodobenzene

: 565-61-7,55156-16-6
3-methyl-pentan-2-one

: 61780-85-6
3-benzyl-2-pentanone

Guidance literature:: With palladium diacetate; silver trifluoroacetate; 2-amino-N₁,N₄-diisopropylsuccinamide; trifluoroacetic acid; at 20 - 100 ℃; for 25h; Sealed tube;
DOI:10.1021/acs.orglett.1c01933